[5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol

C12H12FNOS — CID 90418044

IUPAC[5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2snc(C)c2CO)c(F)c1
InChIInChI=1S/C12H12FNOS/c1-7-3-4-9(11(13)5-7)12-10(6-15)8(2)14-16-12/h3-5,15H,6H2,1-2H3
InChIKeyVRALUESHWBMYHK-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.06
Rot. Bonds2

About [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol

[5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol (PubChem CID 90418044) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
PubChem CID90418044
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name[5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
SMILESCc1ccc(-c2snc(C)c2CO)c(F)c1
InChIInChI=1S/C12H12FNOS/c1-7-3-4-9(11(13)5-7)12-10(6-15)8(2)14-16-12/h3-5,15H,6H2,1-2H3
InChIKeyVRALUESHWBMYHK-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol?
The IUPAC name of [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol (CID 90418044) is [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol is Cc1ccc(-c2snc(C)c2CO)c(F)c1.
What is the InChIKey of [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol?
The InChIKey is VRALUESHWBMYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-7-3-4-9(11(13)5-7)12-10(6-15)8(2)14-16-12/h3-5,15H,6H2,1-2H3.
What are the key properties of [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol?
[5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).